Decanoic-d19 acid

Base Information

• Chemical Name: Decanoic-d19 acid
• CAS No.: 88170-22-3
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 191.117
• European Community (EC) Number: 693-125-0
• DSSTox Substance ID: DTXSID00583929
• Nikkaji Number: J3.559.172I
• Wikidata: Q82475540
• Mol file: 88170-22-3.mol

Synonyms:Decanoic-d19 acid;88170-22-3;Decanoic acid-d19;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecadeuteriodecanoic acid;d19-decanoic acid;(?H??)decanoic acid;(~2~H_19_)Decanoic acid;DTXSID00583929;HY-W015309S1;AKOS015915852;AS-84952;CS-0203928;D98251;A935358;Decanoic-d19 acid, 98 atom % D, 98% (CP)

Chemical Property of Decanoic-d19 acid

Chemical Property:

• Melting Point: 30-32 °C(lit.)
• Boiling Point: 268-270 °C(lit.)
• PSA: 37.30000
• Density: 0.991 g/mL at 25 °C
• LogP: 3.21170
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 191.265588049
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

NLT 98% ^*data from raw suppliers

Decanoic-d19Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
• Description: Decanoic acid-d19 is intended for use as an internal standard for the quantification of decanoic acid by GC- or LC-MS. Decanoic acid is a medium-chain saturated fatty acid. It is a non-competitive antagonist at AMPA receptors that selectively reduces glutamate-induced currents in Xenopus oocytes expressing GluA2 and GluA3 subunit-containing AMPA receptors (IC50 = 0.52 mM) over those expressing GluA1 (IC50 = 2.09 mM) or GluA1 and GluA2 subunits (IC50 = 1.16 mM). It inhibits epileptiform activity induced by pentylenetetrazole or low magnesium in rat hippocampal slices. Decanoic acid (1 mM) induces contractions in isolated guinea pig duodenum, an effect that can be blocked by the muscarinic acetylcholine receptor antagonist hyoscine, voltage-gated sodium channel inhibitor tetrodotoxin (Item Nos. 14964 | 14963), or M2 muscarinic acetylcholine receptor antagonist hexamethonium . It increases the escape threshold in an orofacial mechanical stimulation test in rats when administered at a topical dose of 30% in ointment form, indicating analgesic activity. This effect can be blocked by the muscarinic acetylcholine receptor antagonist methoctramine . Plasma levels of decanoic acid are increased in patients with colorectal cancer when compared to patients with breast cancer or ulcerative colitis or without cancer.
• Uses: Decanoic-d19 Acid is used on platinum-on-carbon-catalyzed multiple deuterium labeling of saturated fatty acids. Cylindrocyclophane biosynthesis involves functionalization of an unactivated carbon center.